2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide

C8H13ClN2O2 — CID 131107119

IUPAC2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide
SMILESCN1CCCC(NC(=O)CCl)C1=O
InChIInChI=1S/C8H13ClN2O2/c1-11-4-2-3-6(8(11)13)10-7(12)5-9/h6H,2-5H2,1H3,(H,10,12)
InChIKeyMRUQSUVRCAVPEA-UHFFFAOYSA-N
MW204.66 g/mol
LogP-0.04
Rot. Bonds2

About 2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide

2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide (PubChem CID 131107119) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide
PubChem CID131107119
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide
SMILESCN1CCCC(NC(=O)CCl)C1=O
InChIInChI=1S/C8H13ClN2O2/c1-11-4-2-3-6(8(11)13)10-7(12)5-9/h6H,2-5H2,1H3,(H,10,12)
InChIKeyMRUQSUVRCAVPEA-UHFFFAOYSA-N
XLogP-0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide (CID 131107119) is 2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide is CN1CCCC(NC(=O)CCl)C1=O.
What is the InChIKey of 2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide?
The InChIKey is MRUQSUVRCAVPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-11-4-2-3-6(8(11)13)10-7(12)5-9/h6H,2-5H2,1H3,(H,10,12).
What are the key properties of 2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide?
2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide has a molecular weight of 204.66 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methyl-2-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 131107119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).